2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide

C15H22N2O4S — CID 7636371

IUPAC2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
InChIInChI=1S/C15H22N2O4S/c1-12-6-7-13(16-22(19,20)10-9-21-2)11-14(12)17-8-4-3-5-15(17)18/h6-7,11,16H,3-5,8-10H2,1-2H3
InChIKeyVAYDVOGQFBXBIZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.90
Rot. Bonds6

About 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide

2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide (PubChem CID 7636371) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
PubChem CID7636371
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1
InChIInChI=1S/C15H22N2O4S/c1-12-6-7-13(16-22(19,20)10-9-21-2)11-14(12)17-8-4-3-5-15(17)18/h6-7,11,16H,3-5,8-10H2,1-2H3
InChIKeyVAYDVOGQFBXBIZ-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propane-1-sulfonamide
CID 7636321
4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636338
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-2-methoxyethanesulfonamide
CID 110303603
1-bromo-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
CID 7636190
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636353
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpropane-1-sulfonamide
CID 7636421
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 107650806
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-yne-1-sulfonamide
CID 7636079
2,5-dichloro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636345
4-chloro-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635998
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636428

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide (CID 7636371) is 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide is COCCS(=O)(=O)Nc1ccc(C)c(N2CCCCC2=O)c1.
What is the InChIKey of 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is VAYDVOGQFBXBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-6-7-13(16-22(19,20)10-9-21-2)11-14(12)17-8-4-3-5-15(17)18/h6-7,11,16H,3-5,8-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide?
2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 7636371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).